Geometry & MOs

Info

ID:	256643
PubChem CID:	103140423
Reduced:	N6C11H20 (1)
Stoich.:	A6B11C20 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	66.46
Dipole, Da:	4.5
IP(EA), eV:	-8.54(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(5-methyloxolan-2-yl)methylsulfanyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2CN3CCN2CC3)NN

DOS

IR

Vibrations